| Properties | Image |
|---|
| MNX_ID | MNXM1176745 |
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| reference | envipathM:...e6719c4c28f2 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | UEDNIXIUQVOWDS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-31-38-51(59)65-42(40-63-53(61)46(58)35-28-24-23-27-33-44(56)43(55)32-26-21-11-8-5-2)41-64-54(62)52(60)45(57)34-29-25-30-37-48-50(67-48)39-49-47(66-49)36-9-6-3/h12-13,15-16,21,26,42-44,46-50,52,55-56,58,60H,4-11,14,17-20,22-25,27-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)C(O)CCCCCCC(O)C(O)CC=CCCCC)COC(=O)C(O)C(=O)CCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-31-38-51(59)65-42(40-63-53(61)46(58)35-28-24-23-27-33-44(56)43(55)32-26-21-11-8-5-2)41-64-54(62)52(60)45(57)34-29-25-30-37-48-50(67-48)39-49-47(66-49)36-9-6-3/h12-13,15-16,21,26,42-44,46-50,52,55-56,58,60H,4-11,14,17-20,22-25,27-41H2,1-3H3/b13-12?,16-15?,26-21?/t42?,43?,44?,46?,47?,48?,49?,50?,52? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:31][CH2:38][C:51](=[O:59])[O:65][CH:42]([CH2:40][O:63][C:53]([CH:46]([CH2:35][CH2:28][CH2:24][CH2:23][CH2:27][CH2:33][CH:44]([CH:43]([CH2:32][CH:26]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])[OH:58])=[O:61])[CH2:41][O:64][C:54]([CH:52]([C:45]([CH2:34][CH2:29][CH2:25][CH2:30][CH2:37][CH:48]1[CH:50]([CH2:39][CH:49]2[CH:47]([CH2:36][CH2:9][CH2:6][CH3:3])[O:66]2)[O:67]1)=[O:57])[OH:60])=[O:62] |
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